Orthosilicates with glaserite-type crystal structures: Na2BaZr[SiO4]2 and Na2BaHf[SiO4]2

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-05-01 DOI:10.1107/S2056989025002956

Hisanori Yamane , Shiro Funahashi , Naoto Hirosaki , Takashi Takeda

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Abstract

The two title oxides are new isotypic silicates, crystallizing in the non-centrosymmetric space group P3. The crystal structures were analysed with two twin components in each case.

Single crystal particles of Na₂BaZr[SiO₄]₂ [systematic name: disodium barium zirconium bis(orthosilicate)] and Na₂BaHf[SiO₄]₂ [disodium barium hafnium bis(orthosilicate)] were extracted from grain-grown polycrystals obtained by heating compacts of binary oxide mixtures at 1473 K. Single crystal X-ray diffraction analysis revealed that these are isostructural orthosilicates with a glaserite-type crystal structure, in which all sites of X, Y, M, and T in the general formula XY₂[M(TO₄)₂] are fully occupied by atoms of different elements. The crystal structures of the title compounds were refined in space group P3 under consideration of a two-component twin model. The SiO₄ tetrahedra are rotated approximately ±10.2° from the mirror plane of space group P3m around an axis parallel to [001].

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具有glaserite型晶体结构的正硅酸盐：Na2BaZr[SiO4]2和Na2BaHf[SiO4]2。

在1473 K的温度下加热二元氧化物混合物，从晶粒生长的多晶中提取出Na2BaZr[SiO4]2[系统名称：二钠钡锆双-（正硅酸盐）]和Na2BaHf[SiO4]2[二钠钡铪双-（正硅酸盐）]单晶颗粒。单晶X射线衍射分析表明，这是一种具有glaserite型晶体结构的等结构正硅酸盐，其通式XY 2[M(TO4)2]中X、Y、M和T的所有位置都被不同元素的原子完全占据。考虑双组分孪晶模型，在空间群P3中细化了标题化合物的晶体结构。SiO4四面体围绕平行于[001]的轴，从空间群P3m的镜面旋转约±10.2°。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

CiteScore

1.90

自引率

0.00%

发文量

351

审稿时长

3 weeks

期刊介绍： Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.